4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile

C13H21N3O3 — CID 79674139

IUPAC4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCOC2CCNCC2)CCO1
InChIInChI=1S/C13H21N3O3/c14-9-12-10-16(6-8-19-12)13(17)3-7-18-11-1-4-15-5-2-11/h11-12,15H,1-8,10H2
InChIKeyAXNIIJAGZVSSKC-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.10
Rot. Bonds4

About 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile

4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile (PubChem CID 79674139) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
PubChem CID79674139
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCOC2CCNCC2)CCO1
InChIInChI=1S/C13H21N3O3/c14-9-12-10-16(6-8-19-12)13(17)3-7-18-11-1-4-15-5-2-11/h11-12,15H,1-8,10H2
InChIKeyAXNIIJAGZVSSKC-UHFFFAOYSA-N
XLogP-0.10
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
CID 79674503
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-piperidin-4-yloxypropan-1-one
CID 63875294
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
CID 79663625
1-(2-methylmorpholin-4-yl)-2-piperidin-4-yloxyethanone
CID 63877566
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
4-[2-(thian-4-yl)acetyl]morpholine-2-carbonitrile
CID 80709671

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile (CID 79674139) is 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)CCOC2CCNCC2)CCO1.
What is the InChIKey of 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile?
The InChIKey is AXNIIJAGZVSSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c14-9-12-10-16(6-8-19-12)13(17)3-7-18-11-1-4-15-5-2-11/h11-12,15H,1-8,10H2.
What are the key properties of 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile?
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).